>compound Gibberellin A4_Gibberellin A4
#instrument UPLC Q-Tof Premier, Waters
>formula C19H24O5
#smiles C=C([C@H]45)C[C@@](C5)([C@@H](C(O)=O)1)[C@@]([H])(CC4)[C@@](C3)(O2)[C@]([H])([C@@](C)([C@@H](O)C3)C(=O)2)1
#RECORD LC-ESI-QTOF_train_data/PR100555.txt
>charge -1
>ionization [M-H]-
>parentmass 331.15457

>collision 5-60
73.0315 199.8
213.131 617.4
225.1675 581.2
243.1787 719.8
257.1217 657.8
269.1581 536.5
287.1693 602.7
313.1489 263.4
331.1546 3709.0
331.6105 225.6

